NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 V 4.2370 8.0544 120.4406 61.6662 32.9080 174.0627 5 I 4.1152 8.6061 125.9532 59.0157 39.8990 170.7556 6 E 5.3905 9.3439 129.0619 54.8545 32.5141 174.2716 7 Y 4.7772 9.1140 122.0447 56.3310 40.8838 174.8946 8 S 5.1190 8.7670 119.7303 57.5242 64.5816 173.5974 9 L 4.7225 9.1072 123.6995 52.7567 45.6707 175.7837 10 K 4.9335 8.5228 122.2601 54.7492 33.3570 176.0721 11 T 3.8237 8.3731 115.9530 61.7950 69.9445 174.1919 12 S 4.5160 8.6824 116.9909 60.2392 64.6729 174.2513 13 N 4.6166 7.6878 121.3910 53.1347 40.1015 174.9965 14 D 5.4347 9.0160 122.5636 55.6176 40.5166 175.9804 15 D 5.8441 8.0528 117.6473 50.9422 42.1880 174.8969 16 Q 4.6840 8.4722 118.7277 55.3913 31.8675 172.6196 17 F 5.0818 8.8903 119.5839 56.2418 40.6404 175.1925 18 I 4.4743 8.7789 125.7603 59.4294 39.1503 174.6292 19 D 4.8224 9.0975 128.3316 53.8072 41.5353 175.4632 20 I 4.3290 8.2987 119.3953 60.9298 38.3358 177.5548 21 T 3.7599 8.3276 120.4484 67.6006 68.1454 176.0386 22 N 4.4016 8.0010 117.4962 56.1505 38.4348 177.2346 23 L 3.6760 7.5806 119.9811 57.6576 41.6190 179.6506 24 V 3.6106 7.6798 118.0506 65.9778 31.4893 178.1744 25 K 3.9552 8.4474 118.6307 59.4246 31.7551 179.2257 26 K 3.9862 8.5843 120.1712 59.2256 31.8705 178.8190 27 A 4.0634 7.6422 120.6276 55.0442 18.7472 179.5555 28 V 3.6928 7.8464 116.7033 66.2281 31.7928 177.8309 29 D 4.3769 8.1873 118.6037 57.6902 40.5728 178.8854 30 E 4.1382 8.2630 117.1636 58.6702 29.4695 178.9621 31 S 4.3317 7.8128 113.5545 58.9928 63.4756 175.6942 32 G 3.9455 7.8981 109.2147 45.2459 0.0000 174.0803 33 V 3.6776 7.4634 120.6213 63.2145 32.2984 176.3694 34 S 4.5090 8.8085 121.0909 59.6739 64.1018 173.7508 35 D 5.3777 7.6657 119.5101 51.8177 45.3250 172.9246 36 G 4.4859 9.3278 117.9267 46.1762 0.0000 175.0967 *38 A 4.4430 8.5577 125.6919 51.6259 20.6889 176.7858 39 V 4.6516 8.8929 123.4741 61.2132 34.0729 174.4441 40 V 4.8994 8.7907 128.7152 61.2922 33.4303 174.0104 41 F 5.1853 9.6497 130.6787 56.4797 42.8864 173.1847 42 C 4.7301 8.2545 127.0353 56.5136 32.8089 171.6734 43 P 4.9149 0.0000 0.0000 63.5767 31.3430 175.6300 44 H 4.9722 7.6648 114.6731 55.3459 32.0526 174.0548 45 T 4.3771 8.3760 110.8411 62.2204 69.4574 175.3669 46 T 4.7569 7.6333 111.6495 61.1684 70.3780 172.7640 47 A 4.8198 7.8383 121.8884 51.9815 22.8849 175.8595 48 G 3.8548 7.6284 104.0470 45.7608 0.0000 171.7101 49 I 5.0339 8.1533 120.2615 59.8114 40.5359 175.1446 50 T 4.7683 8.8937 119.9836 60.7932 71.7866 172.0093 51 I 5.0711 8.0396 123.8548 59.8930 40.3021 174.7954 52 N 4.7807 9.3029 123.8238 52.8654 43.1578 171.9606 53 E 4.4938 9.5627 120.9132 57.5399 29.7543 177.4271 54 N 5.1957 9.9809 122.6620 52.3511 38.4324 175.4030 55 A 4.4314 8.5042 120.3898 53.9685 21.2598 176.8426 56 D 4.5203 8.4903 122.0380 52.5311 40.6418 175.5509 57 P 4.2349 0.0000 0.0000 65.8462 30.8294 177.8195 58 D 4.3159 8.5529 119.1757 57.0231 40.6524 178.6202 59 V 3.4889 7.9899 119.4363 66.2962 31.5961 178.2482 60 T 3.2455 7.6224 108.9253 64.3964 68.3844 176.1007 61 R 3.6911 7.5482 121.2114 59.4238 30.0920 178.3361 62 D 4.3036 8.2349 118.8059 57.1067 40.6457 179.0045 63 I 3.6445 7.4432 120.3773 64.3257 37.1636 178.3053 64 L 4.1092 7.5386 119.7887 57.8563 41.4735 179.8750 65 V 3.5955 7.8993 118.0893 66.2066 31.6151 177.9147 66 N 4.3830 8.5448 116.6324 56.1856 38.2842 177.4778 67 L 4.1156 8.4408 121.0341 57.7715 41.6388 179.0144 68 D 4.3705 8.3134 118.0695 57.1494 40.9572 178.1557 69 K 3.9798 7.9052 119.0984 59.6601 32.3005 178.6890 70 V 3.6164 7.4832 116.9297 64.2155 32.6688 175.9969 71 F 4.9579 7.9062 116.5967 54.3214 39.1325 172.6323 72 P 4.6794 0.0000 0.0000 61.6145 32.2314 177.7265 73 K 3.7134 8.7073 119.2338 58.5979 32.1852 177.6644 74 V 4.6401 7.9005 116.9959 60.1679 34.1178 175.8328 75 G 3.7927 8.0064 112.5178 46.5437 0.0000 173.5286 76 D 4.4885 7.8710 115.0431 53.5717 39.1600 174.5259 77 Y 4.9842 7.5218 117.8098 55.7629 41.5820 175.8285 78 K 4.2230 8.8443 123.4887 58.1131 33.3983 176.6340 79 H 4.2593 8.2871 119.2167 56.3122 29.7807 176.1834 80 V 3.7662 8.4188 120.7743 64.0276 31.5760 177.3616 81 E 3.9288 7.6568 118.1116 57.1250 29.4799 177.5201 82 G 3.9447 7.9065 106.2046 46.2642 0.0000 173.5427 83 N 4.9558 7.7323 114.5106 51.9874 37.9928 176.5006 84 S 4.1333 7.9777 118.2283 62.3709 62.7030 175.8297 85 H 3.9726 7.6402 117.3254 58.4890 28.1047 177.4564 86 A 3.7807 7.2169 123.4048 55.1435 18.0841 179.2808 87 H 4.5694 7.7124 115.5646 58.4039 28.8235 178.0273 88 I 3.4526 7.6359 121.5559 64.3309 36.7214 178.6426 89 K 3.4679 7.2036 117.5009 58.9609 31.6179 178.9828 90 A 4.2084 7.5108 120.3372 55.4514 18.4362 179.6861 91 S 4.2040 7.4663 112.1367 61.3391 62.8196 176.6304 92 L 4.1614 7.1952 117.7821 54.7430 41.4079 176.9693 *94 G 3.7080 7.3985 108.1193 45.3586 0.0000 174.1594 95 S 4.1217 8.2382 114.6858 59.6209 64.3112 173.3419 96 S 4.9133 7.5199 113.0695 58.2577 65.3826 174.0817 97 Q 4.8435 8.7446 118.3533 54.6689 33.4209 173.9171 98 Q 5.1184 8.6004 118.0440 54.6491 31.9311 174.4393 99 I 4.7076 8.5941 121.2721 59.3981 40.7078 175.5761 100 I 3.9604 8.4452 126.8344 61.4811 38.6383 174.7806 101 I 4.8001 8.5997 127.0762 59.6190 39.6716 174.3643 102 E 4.8412 8.6496 127.8526 54.7578 32.9127 175.1794 103 N 4.4440 9.6002 124.7581 54.6258 35.8550 175.2479 104 G 3.9739 8.9516 104.6547 45.7167 0.0000 174.2459 105 K 4.6676 7.5678 118.0584 53.7770 35.5402 175.5995 106 L 4.4954 8.3303 121.6660 54.8932 41.8811 178.2993 107 K 4.2496 8.6271 127.0175 54.9666 30.4799 175.4694 108 L 4.7876 7.6213 121.9566 51.8076 44.9954 176.7882 109 G 3.8604 9.0956 110.6710 45.1230 0.0000 174.8947 110 T 3.4883 8.3427 110.1981 64.0438 68.4622 175.0363 111 W 5.2491 7.6134 118.3520 55.6299 29.6136 175.0247 112 Q 4.8259 7.8859 119.3004 55.2527 29.1208 175.7004 113 G 4.0674 9.1281 110.6468 44.3064 0.0000 171.4081 114 I 4.7401 8.5148 123.9211 60.2772 38.9981 174.5383 115 Y 5.3085 9.3127 124.4282 56.1216 41.6999 174.3148 116 F 4.8088 9.3385 126.5206 57.1064 41.3222 174.6752 117 T 3.8610 7.9192 118.3279 59.8076 69.5796 172.9839 118 E 4.3352 8.4919 129.6178 55.7873 30.6431 176.4443 119 F 5.1093 8.4665 123.6556 56.6162 40.7028 175.1795 120 D 4.7466 8.8506 119.8450 53.0215 40.4757 174.6146 121 G 4.1584 8.7065 107.5536 44.3137 0.0000 171.5417 122 P 4.9708 0.0000 0.0000 61.9479 32.4185 175.9410 123 R 4.6736 8.8190 121.2434 54.8429 35.6183 174.0387 124 D 4.6155 8.6626 120.4832 54.0101 41.0532 176.4330 125 R 4.7066 9.1257 123.2142 54.4036 33.4295 175.3681 126 K 5.2324 8.5742 118.0235 55.1382 36.6297 176.2682 127 V 4.5917 8.6748 120.8508 61.5578 35.4249 173.7002 128 F 5.7114 9.2556 126.5459 56.0361 41.6236 174.8479 129 V 4.9835 9.3300 122.9681 61.0631 34.4586 173.8967 130 K 4.7552 9.3260 129.9973 54.7427 34.5682 174.5545 131 I 4.6344 8.4579 128.7115 60.1803 38.4094 175.1390 132 I 4.6580 8.3937 127.9111 59.1475 40.2237 176.0160 133 L 4.3302 8.3109 124.5630 55.9210 40.4722 176.2330 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 V 8.05 4.24 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.87 0.00 0.00 5 I 8.61 4.12 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.37 1.01 0.00 0.00 6 E 9.34 5.39 0.00 1.87 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.21 0.00 7 Y 9.11 4.78 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 S 8.77 5.12 0.00 3.78 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 9.11 4.72 0.00 1.10 1.19 0.19 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 10 K 8.52 4.93 0.00 1.54 1.70 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.31 1.56 7.81 11 T 8.37 3.82 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 12 S 8.68 4.52 0.00 3.87 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 N 7.69 4.62 0.00 2.69 2.73 0.00 0.00 6.95 8.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 9.02 5.43 0.00 2.90 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.05 5.84 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.47 4.68 0.00 2.14 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 17 F 8.89 5.08 0.00 2.52 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.78 4.47 1.95 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.88 0.00 0.00 19 D 9.10 4.82 0.00 2.83 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.30 4.33 1.72 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.68 0.91 0.00 0.00 21 T 8.33 3.76 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 22 N 8.00 4.40 0.00 2.66 2.82 0.00 0.00 7.07 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 7.58 3.68 0.00 1.57 0.97 0.72 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.68 3.61 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.95 0.00 0.00 25 K 8.45 3.96 0.00 1.92 1.84 0.00 1.84 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.62 7.81 26 K 8.58 3.99 0.00 1.92 2.04 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.17 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.71 1.50 7.81 27 A 7.64 4.06 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 7.85 3.69 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.02 0.00 0.00 29 D 8.19 4.38 0.00 2.74 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 E 8.26 4.14 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.50 0.00 31 S 7.81 4.33 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 G 7.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.46 3.68 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.94 0.00 0.00 34 S 8.81 4.51 0.00 4.03 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 D 7.67 5.38 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 9.33 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *38 A 8.56 4.44 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.89 4.65 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.98 0.00 0.00 40 V 8.79 4.90 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.98 0.00 0.00 41 F 9.65 5.19 0.00 3.14 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 C 8.25 4.73 0.00 2.67 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 P 0.00 4.91 0.00 2.19 2.07 0.00 3.70 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.94 0.00 44 H 7.66 4.97 0.00 3.06 3.20 0.00 5.84 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 8.38 4.38 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 46 T 7.63 4.76 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 47 A 7.84 4.82 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 7.63 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 8.15 5.03 1.75 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.88 0.87 0.00 0.00 50 T 8.89 4.77 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 51 I 8.04 5.07 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.82 1.03 0.00 0.00 52 N 9.30 4.78 0.00 2.99 2.91 0.00 0.00 6.44 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.56 4.49 0.00 1.93 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 54 N 9.98 5.20 0.00 2.83 3.16 0.00 0.00 6.59 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.50 4.43 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.49 4.52 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.23 0.00 2.29 2.33 0.00 3.75 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 58 D 8.55 4.32 0.00 3.04 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.99 3.49 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.91 0.00 0.00 60 T 7.62 3.25 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 61 R 7.55 3.69 0.00 1.87 2.07 0.00 3.22 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.76 0.00 62 D 8.23 4.30 0.00 2.76 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 I 7.44 3.64 1.58 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.68 1.00 0.00 0.00 64 L 7.54 4.11 0.00 1.79 1.91 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.90 3.60 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.92 0.00 0.00 66 N 8.54 4.38 0.00 2.81 2.84 0.00 0.00 7.09 6.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 8.44 4.12 0.00 1.96 1.77 1.12 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 68 D 8.31 4.37 0.00 2.86 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.91 3.98 0.00 1.78 1.93 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.42 7.81 70 V 7.48 3.62 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 0.86 0.00 0.00 71 F 7.91 4.96 0.00 3.19 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.68 0.00 2.24 2.09 0.00 3.47 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 1.96 0.00 73 K 8.71 3.71 0.00 1.74 1.83 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.15 1.34 7.81 74 V 7.90 4.64 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.97 0.00 0.00 75 G 8.01 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 D 7.87 4.49 0.00 2.49 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 7.52 4.98 0.00 3.01 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.84 4.22 0.00 1.79 1.90 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.39 7.81 79 H 8.29 4.26 0.00 3.14 3.20 0.00 5.69 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 8.42 3.77 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.91 0.00 0.00 81 E 7.66 3.93 0.00 1.84 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.19 0.00 82 G 7.91 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 N 7.73 4.96 0.00 2.81 2.95 0.00 0.00 6.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 7.98 4.13 0.00 3.33 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 H 7.64 3.97 0.00 3.49 3.54 0.00 5.45 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.22 3.78 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 7.71 4.57 0.00 3.30 3.27 0.00 6.10 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.64 3.45 1.54 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.02 -0.06 0.00 0.00 89 K 7.20 3.47 0.00 0.79 0.74 0.00 1.06 0.00 0.00 1.29 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.09 1.33 7.81 90 A 7.51 4.21 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.47 4.20 0.00 3.81 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 L 7.20 4.16 0.00 1.70 1.65 0.75 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 *94 G 7.40 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.24 4.12 0.00 3.31 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 S 7.52 4.91 0.00 4.13 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Q 8.74 4.84 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 98 Q 8.60 5.12 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.69 0.00 0.00 0.00 0.00 0.00 2.24 2.38 0.00 99 I 8.59 4.71 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.56 0.91 0.00 0.00 100 I 8.45 3.96 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 0.92 0.00 0.00 101 I 8.60 4.80 1.99 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.94 0.00 0.00 102 E 8.65 4.84 0.00 2.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 103 N 9.60 4.44 0.00 2.91 2.89 0.00 0.00 7.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 G 8.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 K 7.57 4.67 0.00 1.80 1.65 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.35 7.81 106 L 8.33 4.50 0.00 1.61 1.61 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.63 4.25 0.00 1.70 1.74 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.40 7.81 108 L 7.62 4.79 0.00 1.61 1.52 0.88 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 109 G 9.10 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 T 8.34 3.49 3.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 111 W 7.61 5.25 0.00 3.50 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 Q 7.89 4.83 0.00 2.13 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 113 G 9.13 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 8.51 4.74 1.76 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.63 0.88 0.00 0.00 115 Y 9.31 5.31 0.00 2.77 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 F 9.34 4.81 0.00 2.99 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.92 3.86 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 118 E 8.49 4.34 0.00 2.30 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.49 0.00 119 F 8.47 5.11 0.00 3.04 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 D 8.85 4.75 0.00 2.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.71 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.97 0.00 2.07 2.22 0.00 3.36 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 123 R 8.82 4.67 0.00 1.73 1.81 0.00 3.14 0.00 0.00 3.24 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 124 D 8.66 4.62 0.00 2.57 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 R 9.13 4.71 0.00 1.27 1.64 0.00 2.80 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 126 K 8.57 5.23 0.00 1.60 1.74 0.00 1.84 0.00 0.00 1.86 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.50 7.81 127 V 8.67 4.59 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.96 0.00 0.00 128 F 9.26 5.71 0.00 3.14 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 V 9.33 4.98 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.22 0.00 0.00 130 K 9.33 4.76 0.00 1.89 1.67 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.43 7.81 131 I 8.46 4.63 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.01 0.93 0.00 0.00 132 I 8.39 4.66 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.69 0.92 0.00 0.00 133 L 8.31 4.33 0.00 1.70 1.58 0.92 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.